A0A077ZJ08_TRITR Loading...

Glycosyltransferase family 2

AlphaFold DB , UniProt , Accession A0A077ZJ08, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 123 aa.

						>A0A077ZJ08_TRITR|A0A077ZJ08
MYHPLWQGRLRWLRVRLGQVHDAVVGDDSLESVGGSQTFSAHELGQLRHDGARMRFAPPLVDALQLGPHGLYGLRVGAGVSVDEVRWVIHSRMIVFIAAETAVGSPLIIHHCRLRTHMGPYNG
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.5	Very low	26.2	Very low	240 Å²	240	155.6 Å²	155.6	100%	1.182	72%	0.724	S	S	*	*				0	90.4	0	-133.1	177.4	-162.8	0	0	106.7	H3	M1-H3 PolarHBondContact O-N 3.41Å
2	Y	25.4	Very low	26.3	Very low	231 Å²	231	147.9 Å²	147.9	91%	0.906	68%	0.683	S	S	*	*			trans	-82	108.4	-179	-74.2	-87.8	0	0	0	107.5	P4	Y2-P4 WeakPolarHBondContact O-CD 3.38Å
3	H	22	Very low	26.1	Very low	174 Å²	174	144.1 Å²	144.1	81%	0.806	67%	0.67	S	S	*	*			trans	-60.8	123.9	162	-99.3	-74	0	0	0	106.3	M1 L5	M1-H3 PolarHBondContact O-N 3.41Å; H3-L5 VanDerWaalsContact C-N 3.3Å; H3-L5 PolarHBondContact O-N 2.85Å
4	P	25.3	Very low	26.1	Very low	100 Å²	100	147.3 Å²	147.3	65%	0.649	67%	0.673	S	S	*	*			trans	-57.5	106.2	168.5	22.6	-29.1	0	0	0	105.6	Y2 W6	Y2-P4 WeakPolarHBondContact O-CD 3.38Å; P4-W6 VanDerWaalsContact C-N 3.33Å; P4-W6 PolarHBondContact O-N 2.85Å
5	L	27	Very low	26.1	Very low	147 Å²	147	140.9 Å²	140.9	77%	0.77	65%	0.649	S	S	*	*			trans	-50.8	112.1	162.1	-84.2	155.3	0	0	0	103.4	H3 Q7	H3-L5 VanDerWaalsContact C-N 3.3Å; H3-L5 PolarHBondContact O-N 2.85Å; L5-Q7 PolarHBondContact O-N 3.39Å
6	W	26.3	Very low	25.9	Very low	184 Å²	184	141.3 Å²	141.3	70%	0.697	64%	0.643	S	S	*	*			trans	-55.9	91.7	171.6	-70.1	79	0	0	0	105.8	P4 G8 Y121	P4-W6 VanDerWaalsContact C-N 3.33Å; P4-W6 PolarHBondContact O-N 2.85Å; W6-G8 PolarHBondContact O-N 2.86Å; W6-Y121 HydrophobicContact CH2-CE1 4.29Å; W6-Y121 WeakPolarHBondContact CH2-OH 3.24Å; W6-Y121 VanDerWaalsContact CZ3-OH 3.24Å; W6-Y121 WeakPolarHBondContact CZ3-OH 3.18Å
7	Q	25.5	Very low	25.8	Very low	174 Å²	174	142.5 Å²	142.5	81%	0.813	66%	0.655	S	S	*	*			trans	-76.3	49.4	165.5	-71	-174.7	4.4	0	0	107	L5 R9	L5-Q7 PolarHBondContact O-N 3.39Å; Q7-R9 PolarHBondContact O-N 3.29Å
8	G	25.3	Very low	25.6	Very low	50 Å²	50	138.8 Å²	138.8	52%	0.515	66%	0.662	S	S	.	*			trans	-63	92.2	153.5	0	0	0	0	0	104.4	W6 L10	W6-G8 PolarHBondContact O-N 2.86Å; G8-L10 PolarHBondContact O-N 3.16Å
9	R	25.2	Very low	25.4	Very low	201 Å²	201	138.1 Å²	138.1	76%	0.758	66%	0.658	S	S	*	*			trans	-60.8	87.4	163	-82.2	177.8	162.9	166.8	-3.1	105.1	Q7 R11	Q7-R9 PolarHBondContact O-N 3.29Å; R9-R11 HydrophobicContact CB-CG 4.37Å; R9-R11 PolarHBondContact O-N 2.74Å
10	L	25.4	Very low	25.4	Very low	45 Å²	45	136.7 Å²	136.7	24%	0.236	66%	0.659	C	S	.	*			trans	-64.4	93	158.2	-89.1	86.8	0	0	0	104.9	G8 W12 L60 V95 L114	G8-L10 PolarHBondContact O-N 3.16Å; L10-W12 HydrophobicContact CD2-CZ2 3.98Å; L10-W12 VanDerWaalsContact O-CD1 3.28Å; L10-W12 PolarHBondContact O-N 2.92Å; L10-L60 HydrophobicContact CB-CD2 4.36Å; L10-L60 HydrophobicContact CD1-CD2 3.51Å; L10-L60 HydrophobicContact CD2-CD2 3.64Å; L10-L60 HydrophobicContact CG-CD2 4.01Å; L10-V95 HydrophobicContact CD2-CG2 4.42Å; L10-L114 HydrophobicContact CD1-CD1 4.44Å; L10-L114 HydrophobicContact CD2-CD1 4.14Å; L10-L114 HydrophobicContact CG-CD1 4.24Å
11	R	27.4	Very low	25.3	Very low	166 Å²	166	136.2 Å²	136.2	63%	0.626	66%	0.655	S	S	*	*			trans	-74.9	89	167.2	-76.1	-175.6	168.4	-167.7	-1	105.6	R9 L13	R9-R11 HydrophobicContact CB-CG 4.37Å; R9-R11 PolarHBondContact O-N 2.74Å; R11-L13 PolarHBondContact O-N 2.71Å
12	W	27.2	Very low	24.9	Very low	63 Å²	63	132.5 Å²	132.5	24%	0.239	64%	0.64	C	S	.	*			trans	-63.2	124.3	168.1	-70.4	78.1	0	0	0	107.3	L10 R14 L64 V88 I97	L10-W12 HydrophobicContact CD2-CZ2 3.98Å; L10-W12 VanDerWaalsContact O-CD1 3.28Å; L10-W12 PolarHBondContact O-N 2.92Å; W12-R14 PolarHBondContact O-N 3.35Å; W12-L64 HydrophobicContact CB-CD2 3.84Å; W12-L64 HydrophobicContact CD2-CD2 3.6Å; W12-L64 HydrophobicContact CD2-CG 4.47Å; W12-L64 HydrophobicContact CG-CD2 3.19Å; W12-L64 HydrophobicContact CG-CG 4.25Å; W12-L64 HydrophobicContact CZ2-CD1 4Å; W12-V88 HydrophobicContact CZ2-CG1 4.43Å; W12-I97 HydrophobicContact CH2-CD1 3.42Å; W12-I97 VanDerWaalsContact CH2-CD1 3.42Å; W12-I97 HydrophobicContact CH2-CG1 3.93Å; W12-I97 HydrophobicContact CZ3-CD1 3.5Å; W12-I97 HydrophobicContact CZ3-CG1 4.47Å
13	L	24.1	Very low	24.9	Very low	98 Å²	98	124.9 Å²	124.9	51%	0.513	63%	0.625	S	S	.	*			trans	-55	108.7	166.8	-134.6	90.3	0	0	0	105.6	R11 V15 V20	R11-L13 PolarHBondContact O-N 2.71Å; L13-V15 HydrophobicContact CB-CG2 4.14Å; L13-V15 HydrophobicContact CD2-CG2 4.15Å; L13-V15 PolarHBondContact O-N 2.79Å; L13-V20 HydrophobicContact CD2-CG1 4.19Å
14	R	25.9	Very low	25.1	Very low	189 Å²	189	122.2 Å²	122.2	71%	0.713	62%	0.621	S	S	*	*			trans	-68.8	83.6	170.7	-169.8	178.1	-175.1	173.4	3.7	105.7	W12 R16	W12-R14 PolarHBondContact O-N 3.35Å; R14-R16 PolarHBondContact O-N 2.66Å
15	V	25.7	Very low	25.3	Very low	52 Å²	52	124.5 Å²	124.5	32%	0.315	63%	0.632	S	S	.	*			trans	-72	77.4	176	-171.3	0	0	0	0	107	L13 L17	L13-V15 HydrophobicContact CB-CG2 4.14Å; L13-V15 HydrophobicContact CD2-CG2 4.15Å; L13-V15 PolarHBondContact O-N 2.79Å; V15-L17 PolarHBondContact O-N 2.91Å
16	R	22.9	Very low	25.6	Very low	147 Å²	147	119.6 Å²	119.6	56%	0.555	62%	0.618	S	S	*	*			trans	-71.7	119.5	176.4	-125.1	178.9	175.8	176	-3.1	107	R14 G18 Q19	R14-R16 PolarHBondContact O-N 2.66Å; R16-G18 PolarHBondContact O-N 2.87Å; R16-Q19 PolarHBondContact O-N 2.81Å; R16-Q19 VanDerWaalsContact O-O 3.09Å
17	L	23.8	Very low	25.7	Very low	162 Å²	162	118.8 Å²	118.8	85%	0.848	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	43.9	66	153.2	-78.9	152.1	0	0	0	115	V15 Q19	V15-L17 PolarHBondContact O-N 2.91Å; L17-Q19 PolarHBondContact O-N 3.01Å
18	G	22.7	Very low	26.1	Very low	75 Å²	75	115.8 Å²	115.8	77%	0.773	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.3	6.2	165.8	0	0	0	0	0	116.4	R16	R16-G18 PolarHBondContact O-N 2.87Å
19	Q	22.4	Very low	26.6	Very low	126 Å²	126	117.1 Å²	117.1	59%	0.589	62%	0.618	S	S	*	*			trans	-129.6	111.6	174.3	-67.8	-171.3	-36.3	0	0	107.8	R16 L17 H21	R16-Q19 PolarHBondContact O-N 2.81Å; R16-Q19 VanDerWaalsContact O-O 3.09Å; L17-Q19 PolarHBondContact O-N 3.01Å; Q19-H21 PolarHBondContact O-N 2.76Å
20	V	25.4	Very low	27.1	Very low	110 Å²	110	111.4 Å²	111.4	67%	0.667	60%	0.602	S	S	*	*			trans	-64.8	86.5	162.5	179.4	0	0	0	0	105.2	L13 D22	L13-V20 HydrophobicContact CD2-CG1 4.19Å; V20-D22 PolarHBondContact O-N 2.65Å
21	H	22.7	Very low	27.7	Very low	127 Å²	127	113.5 Å²	113.5	59%	0.588	61%	0.61	S	S	*	*			trans	-64.5	131.7	168.7	-91.7	-71.6	0	0	0	106.9	Q19 A23	Q19-H21 PolarHBondContact O-N 2.76Å; H21-A23 PolarHBondContact O-N 3.44Å
22	D	25.2	Very low	28.2	Very low	162 Å²	162	109 Å²	109	87%	0.866	60%	0.604	S	S	*	*			trans	-53.7	79.1	168.1	-72.2	-45.9	0	0	0	109.7	V20 V24	V20-D22 PolarHBondContact O-N 2.65Å; D22-V24 PolarHBondContact O-N 2.79Å
23	A	26.4	Very low	28.6	Very low	71 Å²	71	110 Å²	110	59%	0.587	62%	0.617	S	S	*	*			trans	-73.6	82.4	168.6	0	0	0	0	0	105.9	H21 V25	H21-A23 PolarHBondContact O-N 3.44Å; A23-V25 PolarHBondContact O-N 2.93Å
24	V	25.6	Very low	29.3	Very low	118 Å²	118	106.1 Å²	106.1	72%	0.715	60%	0.601	S	S	*	*			trans	34.3	88.2	146.2	-172	0	0	0	0	113.2	D22 G26	D22-V24 PolarHBondContact O-N 2.79Å; V24-G26 PolarHBondContact O-N 3.22Å
25	V	29.5	Very low	30.1	Very low	147 Å²	147	99.8 Å²	99.8	89%	0.891	59%	0.594	S	S	*	*	S	Bend	trans	33.3	81.6	144.6	-169.1	0	0	0	0	114	A23	A23-V25 PolarHBondContact O-N 2.93Å
26	G	32.7	Very low	31.1	Very low	45 Å²	45	99.7 Å²	99.7	46%	0.464	60%	0.596	S	S	.	*			trans	-148.4	110.5	148.4	0	0	0	0	0	104.5	V24 D28	V24-G26 PolarHBondContact O-N 3.22Å; G26-D28 PolarHBondContact O-N 3.06Å
27	D	29.2	Very low	32.2	Very low	166 Å²	166	97.1 Å²	97.1	89%	0.888	59%	0.59	S	S	*	*			trans	-66.6	33.5	-176	-119.6	-16.7	0	0	0	113	S29	D27-S29 PolarHBondContact O-N 3.09Å
28	D	34.1	Very low	33.2	Very low	112 Å²	112	93.6 Å²	93.6	60%	0.599	58%	0.576	S	S	*	*			trans	-89.4	59.7	-175.7	-62.7	-33.5	0	0	0	109.3	G26 L30	G26-D28 PolarHBondContact O-N 3.06Å; D28-L30 PolarHBondContact O-N 3.07Å; D28-L30 VanDerWaalsContact O-N 3.07Å
29	S	34.2	Very low	34.3	Very low	77 Å²	77	91.4 Å²	91.4	54%	0.538	55%	0.545	S	S	.	.			trans	-63.2	108.9	178.7	60.3	0	0	0	0	110	D27 E31	D27-S29 PolarHBondContact O-N 3.09Å; S29-E31 PolarHBondContact O-N 2.97Å; S29-E31 VanDerWaalsContact O-N 3.12Å
30	L	37.3	Very low	35.4	Very low	82 Å²	82	88.1 Å²	88.1	43%	0.429	54%	0.536	S	S	.	.			trans	-56.7	114.5	163.1	-86.2	156.7	0	0	0	108.3	D28 C112 L114	D28-L30 PolarHBondContact O-N 3.07Å; D28-L30 VanDerWaalsContact O-N 3.07Å; L30-C112 HydrophobicContact CD2-CB 3.74Å; L30-L114 HydrophobicContact CD2-CD2 3.53Å; L30-L114 HydrophobicContact CD2-CG 4.11Å; L30-L114 HydrophobicContact CG-CD2 4.18Å
31	E	36.5	Very low	36.7	Very low	88 Å²	88	87.1 Å²	87.1	41%	0.411	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	124.6	173.4	-165.2	174.6	178.9	0	0	107.8	S29 V33 R113 R115	S29-E31 PolarHBondContact O-N 2.97Å; S29-E31 VanDerWaalsContact O-N 3.12Å; E31-V33 HydrophobicContact CB-CG2 4.43Å; E31-V33 HydrophobicContact CG-CG2 4.46Å; E31-V33 PolarHBondContact O-N 3.06Å; E31-R113 PolarHBondContact O-N 2.84Å; E31-R115 IonicContact OE1-NH2 2.79Å; E31-R115 IonicContact OE2-CZ 3.28Å; E31-R115 VanDerWaalsContact OE2-CZ 3.28Å; E31-R115 IonicContact OE2-NE 3.49Å; E31-R115 PolarHBondContact OE2-NE 3.35Å; E31-R115 IonicContact OE2-NH2 3.69Å; E31-R115 PolarHBondContact OE2-NH2 2.92Å
32	S	38.3	Very low	38.4	Very low	72 Å²	72	87.3 Å²	87.3	50%	0.503	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	99.2	171.7	-168.4	0	0	0	0	108	G34 H110	S32-G34 PolarHBondContact OG-O 2.83Å; S32-G34 VanDerWaalsContact OG-O 3.11Å; S32-H110 PolarHBondContact OG-CE1 3.41Å; S32-H110 VanDerWaalsContact OG-CE1 3.32Å
33	V	35.4	Very low	39.3	Very low	84 Å²	84	83 Å²	83	51%	0.509	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-22.9	-179.4	175.5	0	0	0	0	111.6	E31 R113	E31-V33 HydrophobicContact CB-CG2 4.43Å; E31-V33 HydrophobicContact CG-CG2 4.46Å; E31-V33 PolarHBondContact O-N 3.06Å; V33-R113 HydrophobicContact CB-CB 3.99Å; V33-R113 HydrophobicContact CG2-CB 3.25Å; V33-R113 HydrophobicContact CG2-CG 4.24Å
34	G	40.5	Very low	40.3	Very low	16 Å²	16	80.8 Å²	80.8	17%	0.165	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	150.8	171.3	0	0	0	0	0	111.5	S32 H111	S32-G34 PolarHBondContact OG-O 2.83Å; S32-G34 VanDerWaalsContact OG-O 3.11Å; G34-H111 PolarHBondContact N-O 2.91Å
35	G	40.9	Very low	41.4	Very low	56 Å²	56	77 Å²	77	58%	0.577	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	-175.3	168.7	0	0	0	0	0	112
36	S	47.2	Very low	42.6	Very low	50 Å²	50	74.8 Å²	74.8	35%	0.35	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	122.3	170.1	-67.5	0	0	0	0	109.4
37	Q	46.4	Very low	43.3	Very low	94 Å²	94	74.2 Å²	74.2	44%	0.439	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124.1	168.6	-172	173	10.5	0	0	109.4	F39 I108 I109	Q37-F39 HydrophobicContact CB-CE2 4.11Å; Q37-F39 HydrophobicContact CB-CZ 4.21Å; Q37-F39 HydrophobicContact CG-CE1 4.43Å; Q37-F39 HydrophobicContact CG-CE2 4.18Å; Q37-F39 HydrophobicContact CG-CZ 4.03Å; Q37-F39 WeakPolarHBondContact O-CE2 3.46Å; Q37-I108 WeakPolarHBondContact O-CA 3.42Å; Q37-I109 PolarHBondContact N-O 3.44Å; Q37-I109 PolarHBondContact O-N 2.66Å
38	T	45.4	Very low	44.2	Very low	88 Å²	88	72.1 Å²	72.1	54%	0.54	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	130.5	167.4	39.4	0	0	0	0	109.8	P106 I108	T38-P106 HydrophobicContact CG2-CB 3.87Å; T38-P106 HydrophobicContact CG2-CG 3.55Å; T38-I108 HydrophobicContact CG2-CG1 4.18Å
39	F	44.5	Very low	45.1	Very low	28 Å²	28	72.6 Å²	72.6	12%	0.123	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-95.6	139.6	176.7	-66.7	-86.3	0	0	0	110.7	Q37 E43 L47 L107 I109	Q37-F39 HydrophobicContact CB-CE2 4.11Å; Q37-F39 HydrophobicContact CB-CZ 4.21Å; Q37-F39 HydrophobicContact CG-CE1 4.43Å; Q37-F39 HydrophobicContact CG-CE2 4.18Å; Q37-F39 HydrophobicContact CG-CZ 4.03Å; Q37-F39 WeakPolarHBondContact O-CE2 3.46Å; F39-E43 HydrophobicContact CB-CB 4Å; F39-E43 HydrophobicContact CD1-CB 3.78Å; F39-E43 HydrophobicContact CG-CB 4.37Å; F39-L47 HydrophobicContact CB-CD1 4.37Å; F39-L47 HydrophobicContact CD1-CD1 3.42Å; F39-L47 VanDerWaalsContact CD1-CD1 3.42Å; F39-L47 HydrophobicContact CD2-CD1 3.94Å; F39-L47 HydrophobicContact CE1-CD1 3.58Å; F39-L47 HydrophobicContact CE2-CD1 4.15Å; F39-L47 HydrophobicContact CG-CD1 3.59Å; F39-L47 HydrophobicContact CZ-CD1 3.97Å; F39-L107 PolarHBondContact N-O 2.93Å; F39-I109 HydrophobicContact CD2-CD1 4.17Å; F39-I109 HydrophobicContact CD2-CG1 3.97Å; F39-I109 HydrophobicContact CE1-CD1 4.46Å; F39-I109 HydrophobicContact CE2-CB 3.56Å; F39-I109 HydrophobicContact CE2-CD1 3.45Å; F39-I109 VanDerWaalsContact CE2-CD1 3.45Å; F39-I109 HydrophobicContact CE2-CG1 3.3Å; F39-I109 HydrophobicContact CZ-CB 4.12Å; F39-I109 HydrophobicContact CZ-CD1 3.6Å; F39-I109 HydrophobicContact CZ-CG1 3.95Å
40	S	47.1	Very low	45.7	Very low	57 Å²	57	72.5 Å²	72.5	40%	0.399	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-62	160.5	165.7	65.5	0	0	0	0	110.7	H42 E43 L44	S40-H42 PolarHBondContact O-N 2.96Å; S40-E43 VanDerWaalsContact CB-OE2 3.28Å; S40-E43 WeakPolarHBondContact CB-OE2 3.26Å; S40-E43 PolarHBondContact N-OE2 3.21Å; S40-E43 PolarHBondContact O-N 2.71Å; S40-E43 VanDerWaalsContact OG-CG 3.3Å; S40-E43 WeakPolarHBondContact OG-CG 2.94Å; S40-E43 PolarHBondContact OG-N 2.93Å; S40-E43 PolarHBondContact OG-OE2 2.78Å; S40-L44 WeakPolarHBondContact O-CB 3.35Å; S40-L44 PolarHBondContact O-N 2.79Å
41	A	51.9	Low	46	Very low	90 Å²	90	68.6 Å²	68.6	74%	0.744	40%	0.395	S	S	*	.	H	α-helix	trans	-57.1	-33.4	178.2	0	0	0	0	0	113	G45	A41-G45 PolarHBondContact O-N 2.88Å
42	H	57.2	Low	46.1	Very low	130 Å²	130	68.6 Å²	68.6	60%	0.602	41%	0.41	S	S	*	.	H	α-helix	trans	-69.5	-48.2	176.1	176.7	-92	0	0	0	111.9	S40 L44 G45 Q46	S40-H42 PolarHBondContact O-N 2.96Å; H42-L44 VanDerWaalsContact C-N 3.28Å; H42-L44 PolarHBondContact O-N 2.91Å; H42-G45 WeakPolarHBondContact O-CA 3.05Å; H42-G45 PolarHBondContact O-N 3.3Å; H42-G45 VanDerWaalsContact O-N 3.09Å; H42-Q46 VanDerWaalsContact CE1-CD 3.43Å; H42-Q46 PolarHBondContact CE1-NE2 3.12Å; H42-Q46 PolarHBondContact O-N 2.69Å
43	E	46	Very low	46.1	Very low	72 Å²	72	74 Å²	74	34%	0.336	42%	0.42	S	S	.	.	H	α-helix	trans	-63.6	-37.2	175.9	-67.2	163.6	124.9	0	0	111.3	F39 S40 G45 Q46 L47	F39-E43 HydrophobicContact CB-CB 4Å; F39-E43 HydrophobicContact CD1-CB 3.78Å; F39-E43 HydrophobicContact CG-CB 4.37Å; S40-E43 VanDerWaalsContact CB-OE2 3.28Å; S40-E43 WeakPolarHBondContact CB-OE2 3.26Å; S40-E43 PolarHBondContact N-OE2 3.21Å; S40-E43 PolarHBondContact O-N 2.71Å; S40-E43 VanDerWaalsContact OG-CG 3.3Å; S40-E43 WeakPolarHBondContact OG-CG 2.94Å; S40-E43 PolarHBondContact OG-N 2.93Å; S40-E43 PolarHBondContact OG-OE2 2.78Å; E43-G45 VanDerWaalsContact C-N 3.32Å; E43-G45 PolarHBondContact O-N 3.25Å; E43-Q46 PolarHBondContact O-N 3.39Å; E43-L47 WeakPolarHBondContact O-CB 3.32Å; E43-L47 WeakPolarHBondContact O-CG 3.33Å; E43-L47 PolarHBondContact O-N 3.13Å
44	L	46.3	Very low	46.3	Very low	25 Å²	25	73.7 Å²	73.7	13%	0.131	41%	0.414	C	S	.	.	H	α-helix	trans	-61.4	-42	171.8	-178.9	57.8	0	0	0	111.2	S40 H42 L47 R48 L107	S40-L44 WeakPolarHBondContact O-CB 3.35Å; S40-L44 PolarHBondContact O-N 2.79Å; H42-L44 VanDerWaalsContact C-N 3.28Å; H42-L44 PolarHBondContact O-N 2.91Å; L44-L47 PolarHBondContact O-N 2.79Å; L44-R48 HydrophobicContact CD1-CG 4.34Å; L44-R48 WeakPolarHBondContact O-CB 3.45Å; L44-R48 WeakPolarHBondContact O-CG 2.96Å; L44-R48 PolarHBondContact O-N 3.06Å; L44-L107 HydrophobicContact CD1-CB 3.41Å; L44-L107 VanDerWaalsContact CD1-CB 3.41Å; L44-L107 HydrophobicContact CD1-CD1 4.35Å; L44-L107 HydrophobicContact CD1-CD2 3.33Å; L44-L107 HydrophobicContact CD1-CG 3.86Å; L44-L107 HydrophobicContact CD2-CB 4.33Å; L44-L107 HydrophobicContact CG-CB 4.44Å
45	G	49	Very low	46.1	Very low	39 Å²	39	84.1 Å²	84.1	40%	0.402	45%	0.448	S	S	.	.	H	α-helix	trans	-59.6	-44.7	173.4	0	0	0	0	0	112.4	A41 H42 E43 R48 H49	A41-G45 PolarHBondContact O-N 2.88Å; H42-G45 WeakPolarHBondContact O-CA 3.05Å; H42-G45 PolarHBondContact O-N 3.3Å; H42-G45 VanDerWaalsContact O-N 3.09Å; E43-G45 VanDerWaalsContact C-N 3.32Å; E43-G45 PolarHBondContact O-N 3.25Å; G45-R48 PolarHBondContact O-N 2.76Å; G45-H49 WeakPolarHBondContact O-CB 3.12Å; G45-H49 PolarHBondContact O-N 3.44Å
46	Q	54.1	Low	45.8	Very low	100 Å²	100	87.6 Å²	87.6	47%	0.467	45%	0.448	S	S	.	.	H	α-helix	trans	-64.7	-47.3	175.4	-72.1	-176.8	-29.9	0	0	111.9	H42 E43 R48 H49 D50	H42-Q46 VanDerWaalsContact CE1-CD 3.43Å; H42-Q46 PolarHBondContact CE1-NE2 3.12Å; H42-Q46 PolarHBondContact O-N 2.69Å; E43-Q46 PolarHBondContact O-N 3.39Å; Q46-R48 VanDerWaalsContact C-N 3.28Å; Q46-R48 PolarHBondContact O-N 2.86Å; Q46-H49 CarbonylContact O-C 3.56Å; Q46-H49 WeakPolarHBondContact O-CA 3.08Å; Q46-H49 WeakPolarHBondContact O-CB 2.75Å; Q46-H49 PolarHBondContact O-N 3.07Å; Q46-D50 WeakPolarHBondContact O-CB 3.28Å; Q46-D50 PolarHBondContact O-N 3.11Å
47	L	48.4	Very low	45.3	Very low	33 Å²	33	86.6 Å²	86.6	17%	0.173	44%	0.442	C	S	.	.	H	α-helix	trans	-63.8	-30.8	175.7	-76.1	167.2	0	0	0	112.8	F39 E43 L44 G51 W87 L107 I109	F39-L47 HydrophobicContact CB-CD1 4.37Å; F39-L47 HydrophobicContact CD1-CD1 3.42Å; F39-L47 VanDerWaalsContact CD1-CD1 3.42Å; F39-L47 HydrophobicContact CD2-CD1 3.94Å; F39-L47 HydrophobicContact CE1-CD1 3.58Å; F39-L47 HydrophobicContact CE2-CD1 4.15Å; F39-L47 HydrophobicContact CG-CD1 3.59Å; F39-L47 HydrophobicContact CZ-CD1 3.97Å; E43-L47 WeakPolarHBondContact O-CB 3.32Å; E43-L47 WeakPolarHBondContact O-CG 3.33Å; E43-L47 PolarHBondContact O-N 3.13Å; L44-L47 PolarHBondContact O-N 2.79Å; L47-G51 WeakPolarHBondContact O-CA 3.32Å; L47-G51 PolarHBondContact O-N 3.25Å; L47-W87 HydrophobicContact CB-CZ3 4.34Å; L47-L107 HydrophobicContact CD1-CD2 4.35Å; L47-I109 HydrophobicContact CD1-CD1 3.65Å; L47-I109 HydrophobicContact CD2-CD1 4.12Å
48	R	48.5	Very low	44.5	Very low	122 Å²	122	85.4 Å²	85.4	46%	0.46	44%	0.442	S	S	.	.	H	α-helix	trans	-69.8	-40.3	171.1	-76.6	174.7	177	-178.9	-1.3	110.8	L44 G45 Q46 A52 W87 E100	L44-R48 HydrophobicContact CD1-CG 4.34Å; L44-R48 WeakPolarHBondContact O-CB 3.45Å; L44-R48 WeakPolarHBondContact O-CG 2.96Å; L44-R48 PolarHBondContact O-N 3.06Å; G45-R48 PolarHBondContact O-N 2.76Å; Q46-R48 VanDerWaalsContact C-N 3.28Å; Q46-R48 PolarHBondContact O-N 2.86Å; R48-A52 WeakPolarHBondContact O-CB 3.48Å; R48-A52 PolarHBondContact O-N 3.19Å; R48-W87 HydrophobicContact CB-CH2 4.3Å; R48-W87 HydrophobicContact CG-CH2 3.49Å; R48-W87 VanDerWaalsContact CG-CH2 3.49Å; R48-W87 HydrophobicContact CG-CZ2 3.84Å; R48-E100 IonicContact NH2-OE1 2.9Å; R48-E100 PolarHBondContact NH2-OE1 3.37Å
49	H	51.3	Low	43.8	Very low	122 Å²	122	85.3 Å²	85.3	57%	0.565	44%	0.444	S	S	*	.	H	α-helix	trans	-67.8	-47.1	177.2	-171.5	76.6	0	0	0	112.2	G45 Q46 A52	G45-H49 WeakPolarHBondContact O-CB 3.12Å; G45-H49 PolarHBondContact O-N 3.44Å; Q46-H49 CarbonylContact O-C 3.56Å; Q46-H49 WeakPolarHBondContact O-CA 3.08Å; Q46-H49 WeakPolarHBondContact O-CB 2.75Å; Q46-H49 PolarHBondContact O-N 3.07Å; H49-A52 WeakPolarHBondContact O-CB 3.46Å; H49-A52 PolarHBondContact O-N 3.37Å
50	D	47	Very low	43.3	Very low	74 Å²	74	85.4 Å²	85.4	40%	0.396	45%	0.445	S	S	.	.	H	α-helix	trans	-70.1	-37.4	174.5	-70.6	-19.2	0	0	0	111	Q46 A52 R53 M54	Q46-D50 WeakPolarHBondContact O-CB 3.28Å; Q46-D50 PolarHBondContact O-N 3.11Å; D50-A52 VanDerWaalsContact C-N 3.31Å; D50-A52 PolarHBondContact O-N 2.79Å; D50-R53 CarbonylContact O-C 3.4Å; D50-R53 VanDerWaalsContact O-CA 3.25Å; D50-R53 WeakPolarHBondContact O-CA 3.31Å; D50-R53 WeakPolarHBondContact O-CB 3.43Å; D50-R53 PolarHBondContact O-N 3.2Å; D50-M54 WeakPolarHBondContact O-CG 3.42Å; D50-M54 PolarHBondContact O-N 2.82Å
51	G	44.5	Very low	42.6	Very low	1 Å²	1	85.6 Å²	85.6	1%	0.01	44%	0.444	C	S	.	.	H	α-helix	trans	-62.7	-36.3	175.1	0	0	0	0	0	112.1	L47 R53 M54	L47-G51 WeakPolarHBondContact O-CA 3.32Å; L47-G51 PolarHBondContact O-N 3.25Å; G51-R53 PolarHBondContact O-N 2.88Å; G51-R53 VanDerWaalsContact O-N 3.16Å; G51-M54 CarbonylContact O-C 3.58Å; G51-M54 WeakPolarHBondContact O-CA 3.35Å; G51-M54 PolarHBondContact O-N 3.29Å
52	A	39	Very low	41.8	Very low	88 Å²	88	86.9 Å²	86.9	73%	0.727	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.9	169.2	0	0	0	0	0	112.2	R48 H49 D50	R48-A52 WeakPolarHBondContact O-CB 3.48Å; R48-A52 PolarHBondContact O-N 3.19Å; H49-A52 WeakPolarHBondContact O-CB 3.46Å; H49-A52 PolarHBondContact O-N 3.37Å; D50-A52 VanDerWaalsContact C-N 3.31Å; D50-A52 PolarHBondContact O-N 2.79Å
53	R	37.4	Very low	40.7	Very low	185 Å²	185	84.3 Å²	84.3	70%	0.698	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-29.5	169	-56.8	177.8	169	-178.5	-2.5	113.1	D50 G51 R55	D50-R53 CarbonylContact O-C 3.4Å; D50-R53 VanDerWaalsContact O-CA 3.25Å; D50-R53 WeakPolarHBondContact O-CA 3.31Å; D50-R53 WeakPolarHBondContact O-CB 3.43Å; D50-R53 PolarHBondContact O-N 3.2Å; G51-R53 PolarHBondContact O-N 2.88Å; G51-R53 VanDerWaalsContact O-N 3.16Å; R53-R55 VanDerWaalsContact C-N 3.27Å; R53-R55 PolarHBondContact O-N 2.85Å
54	M	39.6	Very low	40.1	Very low	78 Å²	78	81.7 Å²	81.7	38%	0.384	43%	0.428	S	S	.	.	S	Bend	trans	-68.7	90.4	170.8	-63	176.5	172	0	0	107.8	D50 G51 F56 I89	D50-M54 WeakPolarHBondContact O-CG 3.42Å; D50-M54 PolarHBondContact O-N 2.82Å; G51-M54 CarbonylContact O-C 3.58Å; G51-M54 WeakPolarHBondContact O-CA 3.35Å; G51-M54 PolarHBondContact O-N 3.29Å; M54-F56 PolarHBondContact O-N 3.21Å; M54-I89 HydrophobicContact CB-CG1 4.47Å; M54-I89 HydrophobicContact CE-CD1 4.22Å; M54-I89 HydrophobicContact SD-CD1 3.22Å; M54-I89 WeakPolarHBondContact SD-CD1 3.36Å; M54-I89 HydrophobicContact SD-CG1 3.81Å
55	R	36.1	Very low	39.6	Very low	234 Å²	234	89.1 Å²	89.1	88%	0.883	46%	0.462	S	S	*	.			trans	-46.4	118.2	176	-70.2	-178.3	174.5	177.5	-2.1	107.6	R53 A57	R53-R55 VanDerWaalsContact C-N 3.27Å; R53-R55 PolarHBondContact O-N 2.85Å; R55-A57 PolarHBondContact O-N 3.07Å
56	F	35.5	Very low	39	Very low	130 Å²	130	90 Å²	90	57%	0.57	46%	0.457	S	S	*	.			trans	-37	131.5	158.3	-81.2	-96.2	0	0	0	106.1	M54 P58 R86 W87	M54-F56 PolarHBondContact O-N 3.21Å; F56-P58 VanDerWaalsContact C-N 3.33Å; F56-P58 WeakPolarHBondContact O-CD 3.45Å; F56-R86 VanDerWaalsContact CE1-O 3.31Å; F56-R86 WeakPolarHBondContact CE1-O 3.27Å; F56-W87 AromaticContact CZ-CD1 3.82Å; F56-W87 AromaticContact CZ-NE1 3.98Å
57	A	35.9	Very low	38	Very low	29 Å²	29	87.3 Å²	87.3	24%	0.24	46%	0.456	C	S	.	.			trans	-90.1	79.3	161.3	0	0	0	0	0	105.5	R55 L60 V61	R55-A57 PolarHBondContact O-N 3.07Å; A57-L60 HydrophobicContact CB-CB 3.93Å; A57-L60 HydrophobicContact CB-CD1 3.87Å; A57-L60 HydrophobicContact CB-CG 4.43Å; A57-L60 WeakPolarHBondContact O-CB 3.5Å; A57-L60 PolarHBondContact O-N 3.46Å; A57-V61 PolarHBondContact O-N 2.95Å
58	P	31	Very low	37.3	Very low	68 Å²	68	91.8 Å²	91.8	44%	0.442	49%	0.487	S	S	.	.	H	α-helix	trans	-52.6	-33.1	171.4	17.4	-22.7	0	0	0	111.5	F56 L60 V61 D62	F56-P58 VanDerWaalsContact C-N 3.33Å; F56-P58 WeakPolarHBondContact O-CD 3.45Å; P58-L60 PolarHBondContact O-N 3.01Å; P58-L60 VanDerWaalsContact O-N 3.11Å; P58-V61 CarbonylContact O-C 3.36Å; P58-V61 PolarHBondContact O-N 3.2Å; P58-D62 VanDerWaalsContact O-CB 3.26Å; P58-D62 WeakPolarHBondContact O-CB 3.4Å; P58-D62 VanDerWaalsContact O-CG 3.31Å; P58-D62 PolarHBondContact O-N 2.96Å
59	P	30	Very low	36.7	Very low	87 Å²	87	93.1 Å²	93.1	57%	0.565	50%	0.498	S	S	*	.	H	α-helix	trans	-60.5	-30	176.5	-20.9	31.9	0	0	0	113.1	A63	P59-A63 WeakPolarHBondContact O-CA 3.37Å; P59-A63 WeakPolarHBondContact O-CB 3.5Å; P59-A63 PolarHBondContact O-N 2.87Å
60	L	32.9	Very low	36	Very low	29 Å²	29	88.6 Å²	88.6	15%	0.152	48%	0.484	C	S	.	.	H	α-helix	trans	-75.7	-41.1	177.2	-100.6	156	0	0	0	111.1	L10 A57 P58 L64 H90	L10-L60 HydrophobicContact CB-CD2 4.36Å; L10-L60 HydrophobicContact CD1-CD2 3.51Å; L10-L60 HydrophobicContact CD2-CD2 3.64Å; L10-L60 HydrophobicContact CG-CD2 4.01Å; A57-L60 HydrophobicContact CB-CB 3.93Å; A57-L60 HydrophobicContact CB-CD1 3.87Å; A57-L60 HydrophobicContact CB-CG 4.43Å; A57-L60 WeakPolarHBondContact O-CB 3.5Å; A57-L60 PolarHBondContact O-N 3.46Å; P58-L60 PolarHBondContact O-N 3.01Å; P58-L60 VanDerWaalsContact O-N 3.11Å; L60-L64 WeakPolarHBondContact O-CB 3.22Å; L60-L64 WeakPolarHBondContact O-CD1 3.45Å; L60-L64 WeakPolarHBondContact O-CG 3.27Å; L60-L64 PolarHBondContact O-N 2.95Å; L60-H90 HydrophobicContact CD1-CB 3.94Å
61	V	33.5	Very low	35.7	Very low	61 Å²	61	86.6 Å²	86.6	37%	0.37	47%	0.473	S	S	.	.	H	α-helix	trans	-70.6	-34.4	176.4	-175.3	0	0	0	0	112	A57 P58 L64	A57-V61 PolarHBondContact O-N 2.95Å; P58-V61 CarbonylContact O-C 3.36Å; P58-V61 PolarHBondContact O-N 3.2Å; V61-L64 WeakPolarHBondContact O-CB 3.45Å; V61-L64 PolarHBondContact O-N 3.44Å
62	D	34.1	Very low	35.3	Very low	117 Å²	117	93.6 Å²	93.6	63%	0.626	50%	0.501	S	S	*	.	H	α-helix	trans	-75.1	-44.2	174.1	-71.9	-23	0	0	0	111.1	P58 L64 Q65	P58-D62 VanDerWaalsContact O-CB 3.26Å; P58-D62 WeakPolarHBondContact O-CB 3.4Å; P58-D62 VanDerWaalsContact O-CG 3.31Å; P58-D62 PolarHBondContact O-N 2.96Å; D62-L64 PolarHBondContact O-N 3.27Å; D62-Q65 PolarHBondContact O-N 2.94Å
63	A	34.5	Very low	35.2	Very low	76 Å²	76	91.6 Å²	91.6	63%	0.628	49%	0.489	S	S	*	.	H	α-helix	trans	-62.1	-24.7	172.4	0	0	0	0	0	111.8	P59 Q65	P59-A63 WeakPolarHBondContact O-CA 3.37Å; P59-A63 WeakPolarHBondContact O-CB 3.5Å; P59-A63 PolarHBondContact O-N 2.87Å; A63-Q65 PolarHBondContact O-N 3.03Å
64	L	34.6	Very low	35.5	Very low	18 Å²	18	84.1 Å²	84.1	9%	0.094	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-17.8	173.8	-102.1	169	0	0	0	112.4	W12 L60 V61 D62 L66	W12-L64 HydrophobicContact CB-CD2 3.84Å; W12-L64 HydrophobicContact CD2-CD2 3.6Å; W12-L64 HydrophobicContact CD2-CG 4.47Å; W12-L64 HydrophobicContact CG-CD2 3.19Å; W12-L64 HydrophobicContact CG-CG 4.25Å; W12-L64 HydrophobicContact CZ2-CD1 4Å; L60-L64 WeakPolarHBondContact O-CB 3.22Å; L60-L64 WeakPolarHBondContact O-CD1 3.45Å; L60-L64 WeakPolarHBondContact O-CG 3.27Å; L60-L64 PolarHBondContact O-N 2.95Å; V61-L64 WeakPolarHBondContact O-CB 3.45Å; V61-L64 PolarHBondContact O-N 3.44Å; D62-L64 PolarHBondContact O-N 3.27Å; L64-L66 HydrophobicContact CB-CB 4.44Å; L64-L66 HydrophobicContact CB-CD1 3.6Å; L64-L66 HydrophobicContact CB-CG 3.68Å; L64-L66 HydrophobicContact CD1-CD1 3.7Å; L64-L66 HydrophobicContact CD2-CD1 3.47Å; L64-L66 VanDerWaalsContact CD2-CD1 3.47Å; L64-L66 HydrophobicContact CD2-CD2 4.13Å; L64-L66 HydrophobicContact CD2-CG 3.75Å; L64-L66 HydrophobicContact CG-CD1 3.77Å; L64-L66 HydrophobicContact CG-CG 4.23Å; L64-L66 WeakPolarHBondContact O-CG 3.44Å; L64-L66 PolarHBondContact O-N 2.97Å
65	Q	35.5	Very low	35.6	Very low	181 Å²	181	87.6 Å²	87.6	85%	0.846	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	40.3	33	-176.6	-68.7	-165.4	1.8	0	0	112.5	D62 A63 G67	D62-Q65 PolarHBondContact O-N 2.94Å; A63-Q65 PolarHBondContact O-N 3.03Å; Q65-G67 PolarHBondContact O-N 3.41Å
66	L	36.6	Very low	36	Very low	57 Å²	57	77.2 Å²	77.2	30%	0.298	43%	0.434	S	S	.	.			trans	-80.2	100.2	178.1	-65.9	170	0	0	0	103.1	L64 G70 L71	L64-L66 HydrophobicContact CB-CB 4.44Å; L64-L66 HydrophobicContact CB-CD1 3.6Å; L64-L66 HydrophobicContact CB-CG 3.68Å; L64-L66 HydrophobicContact CD1-CD1 3.7Å; L64-L66 HydrophobicContact CD2-CD1 3.47Å; L64-L66 VanDerWaalsContact CD2-CD1 3.47Å; L64-L66 HydrophobicContact CD2-CD2 4.13Å; L64-L66 HydrophobicContact CD2-CG 3.75Å; L64-L66 HydrophobicContact CG-CD1 3.77Å; L64-L66 HydrophobicContact CG-CG 4.23Å; L64-L66 WeakPolarHBondContact O-CG 3.44Å; L64-L66 PolarHBondContact O-N 2.97Å; L66-G70 WeakPolarHBondContact CB-O 3.49Å; L66-G70 VanDerWaalsContact CD2-O 3.28Å; L66-G70 WeakPolarHBondContact CD2-O 3.31Å; L66-L71 HydrophobicContact CD1-CD1 3.61Å; L66-L71 HydrophobicContact CD1-CD2 3.36Å; L66-L71 HydrophobicContact CD1-CG 3.53Å; L66-L71 HydrophobicContact CD2-CD2 3.95Å; L66-L71 HydrophobicContact CG-CD2 4.2Å
67	G	32.7	Very low	36.2	Very low	43 Å²	43	72.4 Å²	72.4	44%	0.443	42%	0.42	S	S	.	.			trans	-53.5	-178.9	178.5	0	0	0	0	0	112	Q65 H69 G70	Q65-G67 PolarHBondContact O-N 3.41Å; G67-H69 CarbonylContact O-C 3.57Å; G67-H69 PolarHBondContact O-N 2.9Å; G67-G70 WeakPolarHBondContact O-CA 3.41Å; G67-G70 PolarHBondContact O-N 2.89Å
68	P	33.5	Very low	36.4	Very low	128 Å²	128	76 Å²	76	83%	0.831	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-13.5	-176	20.3	-32.4	0	0	0	115.3	G70	P68-G70 VanDerWaalsContact C-N 3.28Å; P68-G70 PolarHBondContact O-N 3.49Å
69	H	34.9	Very low	36.9	Very low	150 Å²	150	75.1 Å²	75.1	69%	0.694	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	28.4	172.6	-53.1	-62.3	0	0	0	113.1	G67 L71 Y72	G67-H69 CarbonylContact O-C 3.57Å; G67-H69 PolarHBondContact O-N 2.9Å; H69-L71 VanDerWaalsContact C-N 3.33Å; H69-L71 PolarHBondContact O-N 2.84Å; H69-Y72 HydrophobicContact CB-CD2 4.12Å; H69-Y72 WeakPolarHBondContact O-CD2 2.94Å; H69-Y72 PolarHBondContact O-N 2.92Å
70	G	37.6	Very low	37.5	Very low	26 Å²	26	72.4 Å²	72.4	27%	0.268	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-34.3	-140.9	0	0	0	0	0	117.5	L66 G67 P68	L66-G70 WeakPolarHBondContact CB-O 3.49Å; L66-G70 VanDerWaalsContact CD2-O 3.28Å; L66-G70 WeakPolarHBondContact CD2-O 3.31Å; G67-G70 WeakPolarHBondContact O-CA 3.41Å; G67-G70 PolarHBondContact O-N 2.89Å; P68-G70 VanDerWaalsContact C-N 3.28Å; P68-G70 PolarHBondContact O-N 3.49Å
71	L	39.4	Very low	38.3	Very low	32 Å²	32	73.8 Å²	73.8	17%	0.168	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.3	18.9	-172.6	-70.2	165.3	0	0	0	113.7	L66 H69 G73 L74 V85	L66-L71 HydrophobicContact CD1-CD1 3.61Å; L66-L71 HydrophobicContact CD1-CD2 3.36Å; L66-L71 HydrophobicContact CD1-CG 3.53Å; L66-L71 HydrophobicContact CD2-CD2 3.95Å; L66-L71 HydrophobicContact CG-CD2 4.2Å; H69-L71 VanDerWaalsContact C-N 3.33Å; H69-L71 PolarHBondContact O-N 2.84Å; L71-G73 PolarHBondContact O-N 3.31Å; L71-L74 HydrophobicContact CB-CB 4.3Å; L71-L74 HydrophobicContact CD2-CB 4.19Å; L71-L74 HydrophobicContact CD2-CD1 4.24Å; L71-L74 HydrophobicContact CD2-CD2 4.03Å; L71-L74 HydrophobicContact CD2-CG 4.37Å; L71-L74 WeakPolarHBondContact O-CB 3.43Å; L71-L74 PolarHBondContact O-N 3.36Å; L71-V85 HydrophobicContact CB-CG2 4.11Å; L71-V85 HydrophobicContact CD1-CB 3.37Å; L71-V85 HydrophobicContact CD1-CG1 4.15Å; L71-V85 HydrophobicContact CD1-CG2 3.44Å; L71-V85 VanDerWaalsContact CD1-CG2 3.44Å; L71-V85 HydrophobicContact CG-CB 4.49Å; L71-V85 HydrophobicContact CG-CG2 4.25Å
72	Y	37.8	Very low	39.1	Very low	149 Å²	149	71 Å²	71	58%	0.584	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	114.6	175	-74.2	-71.1	0	0	0	110.1	H69 D83	H69-Y72 HydrophobicContact CB-CD2 4.12Å; H69-Y72 WeakPolarHBondContact O-CD2 2.94Å; H69-Y72 PolarHBondContact O-N 2.92Å; Y72-D83 WeakPolarHBondContact CD1-O 3.23Å; Y72-D83 VanDerWaalsContact CD1-OD1 3.27Å; Y72-D83 WeakPolarHBondContact CD1-OD1 3.31Å
73	G	36.5	Very low	39.7	Very low	46 Å²	46	68.6 Å²	68.6	47%	0.474	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	16.9	179	0	0	0	0	0	114.6	L71 R75 V82	L71-G73 PolarHBondContact O-N 3.31Å; G73-R75 PolarHBondContact O-N 2.87Å; G73-V82 WeakPolarHBondContact CA-O 3.24Å; G73-V82 PolarHBondContact N-O 2.94Å
74	L	42.3	Very low	40.2	Very low	27 Å²	27	68.5 Å²	68.5	14%	0.141	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	109.3	169.4	-179	73.8	0	0	0	108.3	L71 V76 V82 V85	L71-L74 HydrophobicContact CB-CB 4.3Å; L71-L74 HydrophobicContact CD2-CB 4.19Å; L71-L74 HydrophobicContact CD2-CD1 4.24Å; L71-L74 HydrophobicContact CD2-CD2 4.03Å; L71-L74 HydrophobicContact CD2-CG 4.37Å; L71-L74 WeakPolarHBondContact O-CB 3.43Å; L71-L74 PolarHBondContact O-N 3.36Å; L74-V76 HydrophobicContact CD2-CG2 3.87Å; L74-V76 HydrophobicContact CG-CG2 4.09Å; L74-V76 PolarHBondContact O-N 3.34Å; L74-V82 HydrophobicContact CB-CB 4.41Å; L74-V82 PolarHBondContact N-O 3.22Å; L74-V82 WeakPolarHBondContact O-CB 3.19Å; L74-V82 PolarHBondContact O-N 2.66Å; L74-V85 HydrophobicContact CD2-CG2 3.94Å
75	R	43	Very low	41	Very low	152 Å²	152	68.8 Å²	68.8	57%	0.574	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	110	169	-78.9	-172.2	174.5	-165.6	-0.1	108.8	G73 V80 S81	G73-R75 PolarHBondContact O-N 2.87Å; R75-V80 CarbonylContact C-O 3.53Å; R75-V80 VanDerWaalsContact CA-O 3.27Å; R75-V80 WeakPolarHBondContact CA-O 3.03Å; R75-S81 WeakPolarHBondContact CG-OG 3.49Å; R75-S81 PolarHBondContact NE-OG 3.11Å
76	V	44.8	Very low	41.5	Very low	16 Å²	16	64.6 Å²	64.6	10%	0.097	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	162.2	166.3	-145	0	0	0	0	107.2	L74 V80 V82 I97 H110	L74-V76 HydrophobicContact CD2-CG2 3.87Å; L74-V76 HydrophobicContact CG-CG2 4.09Å; L74-V76 PolarHBondContact O-N 3.34Å; V76-V80 PolarHBondContact N-O 3.23Å; V76-V80 PolarHBondContact O-N 3.44Å; V76-V82 HydrophobicContact CG2-CB 4.45Å; V76-V82 HydrophobicContact CG2-CG2 3.54Å; V76-I97 HydrophobicContact CG1-CD1 4.25Å; V76-H110 HydrophobicContact CB-CB 4.23Å; V76-H110 HydrophobicContact CG1-CB 3.48Å; V76-H110 VanDerWaalsContact CG1-CB 3.48Å; V76-H110 VanDerWaalsContact CG1-CD2 3.41Å; V76-H110 WeakPolarHBondContact CG1-CD2 3.25Å
77	G	39.2	Very low	41.9	Very low	28 Å²	28	63.5 Å²	63.5	29%	0.289	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-43.8	157.2	-168.4	0	0	0	0	0	115.4	G79 H110	G77-G79 VanDerWaalsContact C-N 3.26Å; G77-G79 PolarHBondContact O-N 3.08Å; G77-H110 WeakPolarHBondContact CA-NE2 3.28Å; G77-H110 PolarHBondContact N-CD2 3.27Å; G77-H110 PolarHBondContact N-NE2 3.26Å
78	A	40	Very low	42.7	Very low	105 Å²	105	62.1 Å²	62.1	87%	0.868	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	63.5	20.1	-174.9	0	0	0	0	0	115.9	V80	A78-V80 VanDerWaalsContact C-N 3.34Å
79	G	41.6	Very low	43.5	Very low	49 Å²	49	58.4 Å²	58.4	51%	0.505	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	82.1	10.9	172.8	0	0	0	0	0	114.5	G77 S81	G77-G79 VanDerWaalsContact C-N 3.26Å; G77-G79 PolarHBondContact O-N 3.08Å; G79-S81 PolarHBondContact O-N 3.32Å
80	V	43.4	Very low	43.9	Very low	31 Å²	31	55.2 Å²	55.2	19%	0.188	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	118	177.7	178.7	0	0	0	0	109.1	R75 V76 A78 T101 I108	R75-V80 CarbonylContact C-O 3.53Å; R75-V80 VanDerWaalsContact CA-O 3.27Å; R75-V80 WeakPolarHBondContact CA-O 3.03Å; V76-V80 PolarHBondContact N-O 3.23Å; V76-V80 PolarHBondContact O-N 3.44Å; A78-V80 VanDerWaalsContact C-N 3.34Å; V80-T101 HydrophobicContact CG1-CG2 3.84Å; V80-I108 HydrophobicContact CG1-CD1 3.55Å
81	S	49.8	Very low	44	Very low	57 Å²	57	56.5 Å²	56.5	40%	0.399	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	125.8	173.1	-55.6	0	0	0	0	109.2	R75 G79	R75-S81 WeakPolarHBondContact CG-OG 3.49Å; R75-S81 PolarHBondContact NE-OG 3.11Å; G79-S81 PolarHBondContact O-N 3.32Å
82	V	49	Very low	44.1	Very low	3 Å²	3	64.5 Å²	64.5	2%	0.018	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	136.1	177.8	170	0	0	0	0	108.9	G73 L74 V76 E84 V85 A99	G73-V82 WeakPolarHBondContact CA-O 3.24Å; G73-V82 PolarHBondContact N-O 2.94Å; L74-V82 HydrophobicContact CB-CB 4.41Å; L74-V82 PolarHBondContact N-O 3.22Å; L74-V82 WeakPolarHBondContact O-CB 3.19Å; L74-V82 PolarHBondContact O-N 2.66Å; V76-V82 HydrophobicContact CG2-CB 4.45Å; V76-V82 HydrophobicContact CG2-CG2 3.54Å; V82-E84 VanDerWaalsContact CG1-C 3.47Å; V82-E84 WeakPolarHBondContact CG1-O 3.43Å; V82-V85 HydrophobicContact CG1-CG2 3.83Å; V82-A99 HydrophobicContact CB-CB 3.87Å; V82-A99 HydrophobicContact CG1-CB 3.27Å; V82-A99 HydrophobicContact CG2-CB 3.29Å
83	D	46.6	Very low	43.9	Very low	67 Å²	67	62.3 Å²	62.3	36%	0.358	35%	0.345	S	S	.	.	S	Bend	trans	-86.8	-42.2	174.7	-159.9	56.2	0	0	0	109.9	Y72 E100	Y72-D83 WeakPolarHBondContact CD1-O 3.23Å; Y72-D83 VanDerWaalsContact CD1-OD1 3.27Å; Y72-D83 WeakPolarHBondContact CD1-OD1 3.31Å; D83-E100 PolarHBondContact N-O 2.9Å; D83-E100 VanDerWaalsContact N-O 3.11Å
84	E	45.2	Very low	44.2	Very low	74 Å²	74	62.8 Å²	62.8	35%	0.346	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	126.1	-178.2	-166.2	-177.7	165.4	0	0	111.8	V82 R86 A99 E100	V82-E84 VanDerWaalsContact CG1-C 3.47Å; V82-E84 WeakPolarHBondContact CG1-O 3.43Å; E84-R86 IonicContact OE1-CZ 3.45Å; E84-R86 IonicContact OE1-NE 3.74Å; E84-R86 PolarHBondContact OE1-NE 3.35Å; E84-R86 IonicContact OE1-NH1 3.06Å; E84-R86 PolarHBondContact OE1-NH1 2.98Å; E84-R86 IonicContact OE1-NH2 2.97Å; E84-R86 IonicContact OE2-CZ 2.92Å; E84-R86 IonicContact OE2-NE 2.66Å; E84-R86 PolarHBondContact OE2-NE 2.73Å; E84-R86 IonicContact OE2-NH1 3.95Å; E84-R86 PolarHBondContact OE2-NH1 2.82Å; E84-R86 IonicContact OE2-NH2 2.73Å; E84-R86 PolarHBondContact OE2-NH2 3.45Å; E84-A99 CarbonylContact O-C 3.53Å; E84-A99 WeakPolarHBondContact O-CA 3.4Å; E84-E100 PolarHBondContact N-O 3.49Å; E84-E100 PolarHBondContact O-N 2.74Å
85	V	51.1	Low	44.4	Very low	24 Å²	24	61.6 Å²	61.6	15%	0.145	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	119.4	167.8	174.4	0	0	0	0	108.8	L71 L74 V82 V88 I97 A98 A99	L71-V85 HydrophobicContact CB-CG2 4.11Å; L71-V85 HydrophobicContact CD1-CB 3.37Å; L71-V85 HydrophobicContact CD1-CG1 4.15Å; L71-V85 HydrophobicContact CD1-CG2 3.44Å; L71-V85 VanDerWaalsContact CD1-CG2 3.44Å; L71-V85 HydrophobicContact CG-CB 4.49Å; L71-V85 HydrophobicContact CG-CG2 4.25Å; L74-V85 HydrophobicContact CD2-CG2 3.94Å; V82-V85 HydrophobicContact CG1-CG2 3.83Å; V85-V88 HydrophobicContact CG1-CG2 3.88Å; V85-I97 HydrophobicContact CB-CG2 4.28Å; V85-I97 HydrophobicContact CG1-CG2 3.61Å; V85-I97 HydrophobicContact CG2-CG2 3.63Å; V85-A98 CarbonylContact C-O 3.56Å; V85-A98 WeakPolarHBondContact CA-O 3.33Å; V85-A99 HydrophobicContact CG2-CB 4.34Å
86	R	46.6	Very low	44.6	Very low	92 Å²	92	57.1 Å²	57.1	35%	0.347	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-40.5	179.9	-63.1	-65.1	-168.8	177.8	-4.1	111.7	F56 E84 A98 E100	F56-R86 VanDerWaalsContact CE1-O 3.31Å; F56-R86 WeakPolarHBondContact CE1-O 3.27Å; E84-R86 IonicContact OE1-CZ 3.45Å; E84-R86 IonicContact OE1-NE 3.74Å; E84-R86 PolarHBondContact OE1-NE 3.35Å; E84-R86 IonicContact OE1-NH1 3.06Å; E84-R86 PolarHBondContact OE1-NH1 2.98Å; E84-R86 IonicContact OE1-NH2 2.97Å; E84-R86 IonicContact OE2-CZ 2.92Å; E84-R86 IonicContact OE2-NE 2.66Å; E84-R86 PolarHBondContact OE2-NE 2.73Å; E84-R86 IonicContact OE2-NH1 3.95Å; E84-R86 PolarHBondContact OE2-NH1 2.82Å; E84-R86 IonicContact OE2-NH2 2.73Å; E84-R86 PolarHBondContact OE2-NH2 3.45Å; R86-A98 PolarHBondContact N-O 2.97Å; R86-E100 HydrophobicContact CG-CG 4.17Å; R86-E100 IonicContact CZ-OE2 3.27Å; R86-E100 VanDerWaalsContact CZ-OE2 3.27Å; R86-E100 IonicContact NE-OE1 3.08Å; R86-E100 IonicContact NE-OE2 3.22Å; R86-E100 PolarHBondContact NE-OE2 2.81Å; R86-E100 IonicContact NH2-OE2 2.74Å; R86-E100 PolarHBondContact NH2-OE2 2.81Å
87	W	45.5	Very low	45	Very low	35 Å²	35	56.6 Å²	56.6	13%	0.133	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	141.7	-177.3	-47.7	-56.4	0	0	0	112.6	L47 R48 F56 A98 L107	L47-W87 HydrophobicContact CB-CZ3 4.34Å; R48-W87 HydrophobicContact CB-CH2 4.3Å; R48-W87 HydrophobicContact CG-CH2 3.49Å; R48-W87 VanDerWaalsContact CG-CH2 3.49Å; R48-W87 HydrophobicContact CG-CZ2 3.84Å; F56-W87 AromaticContact CZ-CD1 3.82Å; F56-W87 AromaticContact CZ-NE1 3.98Å; W87-A98 HydrophobicContact CB-CB 4Å; W87-A98 HydrophobicContact CD2-CB 4.1Å; W87-A98 HydrophobicContact CE3-CB 3.32Å; W87-A98 HydrophobicContact CG-CB 4.42Å; W87-A98 HydrophobicContact CZ3-CB 4.07Å; W87-A98 PolarHBondContact N-O 3.16Å; W87-A98 PolarHBondContact O-N 3.38Å; W87-L107 HydrophobicContact CE3-CD2 4.35Å; W87-L107 HydrophobicContact CH2-CD2 4.34Å; W87-L107 HydrophobicContact CZ3-CD1 4.45Å; W87-L107 HydrophobicContact CZ3-CD2 3.57Å
88	V	49.5	Very low	45.7	Very low	14 Å²	14	55.3 Å²	55.3	9%	0.085	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	109.4	166	-178	0	0	0	0	107.4	W12 V85 V95 F96	W12-V88 HydrophobicContact CZ2-CG1 4.43Å; V85-V88 HydrophobicContact CG1-CG2 3.88Å; V88-V95 HydrophobicContact CG1-CG1 3.73Å; V88-F96 WeakPolarHBondContact CA-O 3.34Å
89	I	49.3	Very low	46.3	Very low	49 Å²	49	50.4 Å²	50.4	25%	0.251	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.4	177.4	-51.8	147.8	0	0	0	107.3	M54 V95 F96	M54-I89 HydrophobicContact CB-CG1 4.47Å; M54-I89 HydrophobicContact CE-CD1 4.22Å; M54-I89 HydrophobicContact SD-CD1 3.22Å; M54-I89 WeakPolarHBondContact SD-CD1 3.36Å; M54-I89 HydrophobicContact SD-CG1 3.81Å; I89-V95 CarbonylContact O-C 3.57Å; I89-V95 WeakPolarHBondContact O-CA 3.47Å; I89-F96 HydrophobicContact CB-CB 4.08Å; I89-F96 HydrophobicContact CB-CD2 4.29Å; I89-F96 HydrophobicContact CD1-CB 4.14Å; I89-F96 HydrophobicContact CG2-CD2 4.45Å; I89-F96 PolarHBondContact N-O 2.88Å; I89-F96 PolarHBondContact O-N 2.85Å
90	H	43.6	Very low	46.7	Very low	83 Å²	83	49.9 Å²	49.9	38%	0.384	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	115.3	175.9	172.5	-96.1	0	0	0	109.6	L60	L60-H90 HydrophobicContact CD1-CB 3.94Å
91	S	40.3	Very low	46.9	Very low	53 Å²	53	49.4 Å²	49.4	37%	0.371	24%	0.239	S	C	.	.			trans	-90.3	160.6	154.3	74.2	0	0	0	0	108.3	M93 I94	S91-M93 PolarHBondContact O-N 3.46Å; S91-I94 PolarHBondContact N-O 2.65Å; S91-I94 PolarHBondContact O-N 3.46Å; S91-I94 WeakPolarHBondContact OG-CB 3.2Å; S91-I94 PolarHBondContact OG-N 2.85Å; S91-I94 PolarHBondContact OG-O 3.11Å
92	R	40.3	Very low	46.7	Very low	200 Å²	200	49.8 Å²	49.8	76%	0.755	25%	0.245	S	C	*	.	S	Bend	trans	-46.5	-14.9	-177.4	-66.1	-176.7	-177.9	167.2	0.2	116.1
93	M	34.6	Very low	46.4	Very low	103 Å²	103	56.7 Å²	56.7	51%	0.507	29%	0.287	S	S	.	.	S	Bend	trans	-131.5	-19.5	178.6	-65.7	-175.5	-75.7	0	0	114.6	S91 R113 L114	S91-M93 PolarHBondContact O-N 3.46Å; M93-R113 WeakPolarHBondContact O-CA 3.46Å; M93-R113 WeakPolarHBondContact O-CG 3.3Å; M93-L114 PolarHBondContact O-N 2.91Å; M93-L114 VanDerWaalsContact O-N 3.13Å
94	I	42.1	Very low	46.2	Very low	56 Å²	56	57.6 Å²	57.6	29%	0.287	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	127.2	-167.7	-51.6	177.1	0	0	0	110	S91 F96 C112	S91-I94 PolarHBondContact N-O 2.65Å; S91-I94 PolarHBondContact O-N 3.46Å; S91-I94 WeakPolarHBondContact OG-CB 3.2Å; S91-I94 PolarHBondContact OG-N 2.85Å; S91-I94 PolarHBondContact OG-O 3.11Å; I94-F96 HydrophobicContact CB-CE2 3.83Å; I94-F96 HydrophobicContact CB-CZ 4.26Å; I94-F96 HydrophobicContact CG2-CD2 3.97Å; I94-F96 HydrophobicContact CG2-CE1 4.31Å; I94-F96 HydrophobicContact CG2-CE2 3.45Å; I94-F96 VanDerWaalsContact CG2-CE2 3.45Å; I94-F96 HydrophobicContact CG2-CZ 3.62Å; I94-C112 WeakPolarHBondContact CA-O 3.37Å
95	V	47.1	Very low	46	Very low	3 Å²	3	56.4 Å²	56.4	2%	0.018	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	124.5	168.9	-177.7	0	0	0	0	108.6	L10 V88 I89 I97 C112 L114	L10-V95 HydrophobicContact CD2-CG2 4.42Å; V88-V95 HydrophobicContact CG1-CG1 3.73Å; I89-V95 CarbonylContact O-C 3.57Å; I89-V95 WeakPolarHBondContact O-CA 3.47Å; V95-I97 HydrophobicContact CG1-CG1 3.98Å; V95-C112 PolarHBondContact N-O 2.83Å; V95-C112 PolarHBondContact O-N 2.84Å; V95-L114 HydrophobicContact CG2-CD1 3.39Å; V95-L114 HydrophobicContact CG2-CG 3.83Å
96	F	46.3	Very low	45.6	Very low	58 Å²	58	58.1 Å²	58.1	25%	0.254	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	120.9	170	-56.5	-106.3	0	0	0	107.6	V88 I89 I94 I109 H110 H111	V88-F96 WeakPolarHBondContact CA-O 3.34Å; I89-F96 HydrophobicContact CB-CB 4.08Å; I89-F96 HydrophobicContact CB-CD2 4.29Å; I89-F96 HydrophobicContact CD1-CB 4.14Å; I89-F96 HydrophobicContact CG2-CD2 4.45Å; I89-F96 PolarHBondContact N-O 2.88Å; I89-F96 PolarHBondContact O-N 2.85Å; I94-F96 HydrophobicContact CB-CE2 3.83Å; I94-F96 HydrophobicContact CB-CZ 4.26Å; I94-F96 HydrophobicContact CG2-CD2 3.97Å; I94-F96 HydrophobicContact CG2-CE1 4.31Å; I94-F96 HydrophobicContact CG2-CE2 3.45Å; I94-F96 VanDerWaalsContact CG2-CE2 3.45Å; I94-F96 HydrophobicContact CG2-CZ 3.62Å; F96-I109 HydrophobicContact CB-CG2 4.04Å; F96-I109 HydrophobicContact CD1-CG2 4.15Å; F96-H110 WeakPolarHBondContact CA-O 3.45Å; F96-H111 AromaticContact CD1-CE1 3.31Å; F96-H111 WeakPolarHBondContact CD1-CE1 3.09Å; F96-H111 AromaticContact CD1-ND1 2.94Å; F96-H111 WeakPolarHBondContact CD1-ND1 3.48Å; F96-H111 AromaticContact CE1-CE1 3.51Å; F96-H111 AromaticContact CE1-ND1 3.23Å; F96-H111 WeakPolarHBondContact CE1-ND1 3.34Å; F96-H111 AromaticContact CG-ND1 3.94Å
97	I	54.7	Low	45.5	Very low	5 Å²	5	53.8 Å²	53.8	3%	0.026	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	111.1	175.1	-55.2	172.4	0	0	0	106.3	W12 V76 V85 V95 I109 H110	W12-I97 HydrophobicContact CH2-CD1 3.42Å; W12-I97 VanDerWaalsContact CH2-CD1 3.42Å; W12-I97 HydrophobicContact CH2-CG1 3.93Å; W12-I97 HydrophobicContact CZ3-CD1 3.5Å; W12-I97 HydrophobicContact CZ3-CG1 4.47Å; V76-I97 HydrophobicContact CG1-CD1 4.25Å; V85-I97 HydrophobicContact CB-CG2 4.28Å; V85-I97 HydrophobicContact CG1-CG2 3.61Å; V85-I97 HydrophobicContact CG2-CG2 3.63Å; V95-I97 HydrophobicContact CG1-CG1 3.98Å; I97-I109 CarbonylContact O-C 3.57Å; I97-I109 VanDerWaalsContact O-CA 3.31Å; I97-I109 WeakPolarHBondContact O-CA 3.35Å; I97-H110 PolarHBondContact N-O 3.3Å; I97-H110 PolarHBondContact O-N 2.78Å
98	A	52.8	Low	45.8	Very low	1 Å²	1	52.9 Å²	52.9	1%	0.008	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	120.8	172.8	0	0	0	0	0	109	V85 R86 W87 L107 I109	V85-A98 CarbonylContact C-O 3.56Å; V85-A98 WeakPolarHBondContact CA-O 3.33Å; R86-A98 PolarHBondContact N-O 2.97Å; W87-A98 HydrophobicContact CB-CB 4Å; W87-A98 HydrophobicContact CD2-CB 4.1Å; W87-A98 HydrophobicContact CE3-CB 3.32Å; W87-A98 HydrophobicContact CG-CB 4.42Å; W87-A98 HydrophobicContact CZ3-CB 4.07Å; W87-A98 PolarHBondContact N-O 3.16Å; W87-A98 PolarHBondContact O-N 3.38Å; A98-L107 HydrophobicContact CB-CD1 4.1Å; A98-L107 HydrophobicContact CB-CD2 4.15Å; A98-L107 HydrophobicContact CB-CG 4.39Å; A98-I109 HydrophobicContact CB-CD1 4.49Å; A98-I109 HydrophobicContact CB-CG1 3.98Å
99	A	53.3	Low	45.8	Very low	2 Å²	2	52.7 Å²	52.7	2%	0.017	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	132.8	-166.7	0	0	0	0	0	111.3	V82 E84 V85 L107 I108	V82-A99 HydrophobicContact CB-CB 3.87Å; V82-A99 HydrophobicContact CG1-CB 3.27Å; V82-A99 HydrophobicContact CG2-CB 3.29Å; E84-A99 CarbonylContact O-C 3.53Å; E84-A99 WeakPolarHBondContact O-CA 3.4Å; V85-A99 HydrophobicContact CG2-CB 4.34Å; A99-L107 WeakPolarHBondContact O-CA 2.88Å; A99-I108 PolarHBondContact N-O 3.27Å; A99-I108 PolarHBondContact O-N 3.38Å
100	E	49.5	Very low	45.8	Very low	37 Å²	37	50.7 Å²	50.7	17%	0.173	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	126.5	166.2	-72.8	179.6	172.3	0	0	108.5	R48 D83 E84 R86 L107	R48-E100 IonicContact NH2-OE1 2.9Å; R48-E100 PolarHBondContact NH2-OE1 3.37Å; D83-E100 PolarHBondContact N-O 2.9Å; D83-E100 VanDerWaalsContact N-O 3.11Å; E84-E100 PolarHBondContact N-O 3.49Å; E84-E100 PolarHBondContact O-N 2.74Å; R86-E100 HydrophobicContact CG-CG 4.17Å; R86-E100 IonicContact CZ-OE2 3.27Å; R86-E100 VanDerWaalsContact CZ-OE2 3.27Å; R86-E100 IonicContact NE-OE1 3.08Å; R86-E100 IonicContact NE-OE2 3.22Å; R86-E100 PolarHBondContact NE-OE2 2.81Å; R86-E100 IonicContact NH2-OE2 2.74Å; R86-E100 PolarHBondContact NH2-OE2 2.81Å; E100-L107 HydrophobicContact CG-CD1 4.05Å
101	T	48.2	Very low	46	Very low	22 Å²	22	48.8 Å²	48.8	14%	0.135	28%	0.284	C	S	.	.			trans	-79.7	170.6	163.7	46.4	0	0	0	0	108.4	V80 S105 P106 I108	V80-T101 HydrophobicContact CG1-CG2 3.84Å; T101-S105 WeakPolarHBondContact OG1-CB 3.46Å; T101-P106 PolarHBondContact OG1-O 3.35Å; T101-I108 HydrophobicContact CG2-CD1 3.55Å; T101-I108 HydrophobicContact CG2-CG1 4.31Å
102	A	45.8	Very low	46.2	Very low	64 Å²	64	46.8 Å²	46.8	53%	0.529	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-33.6	141.8	-172.7	0	0	0	0	0	115.1	G104 S105	A102-G104 PolarHBondContact O-N 2.74Å; A102-S105 WeakPolarHBondContact O-CB 3.39Å; A102-S105 PolarHBondContact O-N 3.06Å; A102-S105 PolarHBondContact O-OG 2.96Å
103	V	43.1	Very low	46.3	Very low	149 Å²	149	42.8 Å²	42.8	90%	0.903	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-27.4	114.8	-172.8	-177	0	0	0	0	114
104	G	40.5	Very low	46.6	Very low	86 Å²	86	39.3 Å²	39.3	89%	0.887	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.6	-0.2	178.5	0	0	0	0	0	115.4	A102	A102-G104 PolarHBondContact O-N 2.74Å
105	S	41.8	Very low	46.4	Very low	49 Å²	49	43.7 Å²	43.7	34%	0.343	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-82.8	154	178.4	-58.4	0	0	0	0	112.4	T101 A102	T101-S105 WeakPolarHBondContact OG1-CB 3.46Å; A102-S105 WeakPolarHBondContact O-CB 3.39Å; A102-S105 PolarHBondContact O-N 3.06Å; A102-S105 PolarHBondContact O-OG 2.96Å
106	P	43.3	Very low	45.9	Very low	59 Å²	59	47 Å²	47	38%	0.383	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-58	143.3	-179.1	22.3	-33.4	0	0	0	111.6	T38 T101 I108	T38-P106 HydrophobicContact CG2-CB 3.87Å; T38-P106 HydrophobicContact CG2-CG 3.55Å; T101-P106 PolarHBondContact OG1-O 3.35Å; P106-I108 PolarHBondContact O-N 3.22Å
107	L	45.1	Very low	45.4	Very low	1 Å²	1	53 Å²	53	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	126.1	165.9	-175.3	82.2	0	0	0	107.9	F39 L44 L47 W87 A98 A99 E100 I109	F39-L107 PolarHBondContact N-O 2.93Å; L44-L107 HydrophobicContact CD1-CB 3.41Å; L44-L107 VanDerWaalsContact CD1-CB 3.41Å; L44-L107 HydrophobicContact CD1-CD1 4.35Å; L44-L107 HydrophobicContact CD1-CD2 3.33Å; L44-L107 HydrophobicContact CD1-CG 3.86Å; L44-L107 HydrophobicContact CD2-CB 4.33Å; L44-L107 HydrophobicContact CG-CB 4.44Å; L47-L107 HydrophobicContact CD1-CD2 4.35Å; W87-L107 HydrophobicContact CE3-CD2 4.35Å; W87-L107 HydrophobicContact CH2-CD2 4.34Å; W87-L107 HydrophobicContact CZ3-CD1 4.45Å; W87-L107 HydrophobicContact CZ3-CD2 3.57Å; A98-L107 HydrophobicContact CB-CD1 4.1Å; A98-L107 HydrophobicContact CB-CD2 4.15Å; A98-L107 HydrophobicContact CB-CG 4.39Å; A99-L107 WeakPolarHBondContact O-CA 2.88Å; E100-L107 HydrophobicContact CG-CD1 4.05Å; L107-I109 HydrophobicContact CD2-CD1 4.42Å; L107-I109 HydrophobicContact CD2-CG1 4.13Å
108	I	51	Low	44.2	Very low	17 Å²	17	57.2 Å²	57.2	9%	0.087	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	123	171.5	-63.2	177.4	0	0	0	107	Q37 T38 V80 A99 T101 P106	Q37-I108 WeakPolarHBondContact O-CA 3.42Å; T38-I108 HydrophobicContact CG2-CG1 4.18Å; V80-I108 HydrophobicContact CG1-CD1 3.55Å; A99-I108 PolarHBondContact N-O 3.27Å; A99-I108 PolarHBondContact O-N 3.38Å; T101-I108 HydrophobicContact CG2-CD1 3.55Å; T101-I108 HydrophobicContact CG2-CG1 4.31Å; P106-I108 PolarHBondContact O-N 3.22Å
109	I	49	Very low	43	Very low	9 Å²	9	59.3 Å²	59.3	5%	0.046	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	121.7	164.2	-56.2	-179	0	0	0	107.6	Q37 F39 L47 F96 I97 A98 L107 H111	Q37-I109 PolarHBondContact N-O 3.44Å; Q37-I109 PolarHBondContact O-N 2.66Å; F39-I109 HydrophobicContact CD2-CD1 4.17Å; F39-I109 HydrophobicContact CD2-CG1 3.97Å; F39-I109 HydrophobicContact CE1-CD1 4.46Å; F39-I109 HydrophobicContact CE2-CB 3.56Å; F39-I109 HydrophobicContact CE2-CD1 3.45Å; F39-I109 VanDerWaalsContact CE2-CD1 3.45Å; F39-I109 HydrophobicContact CE2-CG1 3.3Å; F39-I109 HydrophobicContact CZ-CB 4.12Å; F39-I109 HydrophobicContact CZ-CD1 3.6Å; F39-I109 HydrophobicContact CZ-CG1 3.95Å; L47-I109 HydrophobicContact CD1-CD1 3.65Å; L47-I109 HydrophobicContact CD2-CD1 4.12Å; F96-I109 HydrophobicContact CB-CG2 4.04Å; F96-I109 HydrophobicContact CD1-CG2 4.15Å; I97-I109 CarbonylContact O-C 3.57Å; I97-I109 VanDerWaalsContact O-CA 3.31Å; I97-I109 WeakPolarHBondContact O-CA 3.35Å; A98-I109 HydrophobicContact CB-CD1 4.49Å; A98-I109 HydrophobicContact CB-CG1 3.98Å; L107-I109 HydrophobicContact CD2-CD1 4.42Å; L107-I109 HydrophobicContact CD2-CG1 4.13Å; I109-H111 WeakPolarHBondContact CG2-CE1 3.34Å
110	H	50.4	Low	41.8	Very low	7 Å²	7	64.6 Å²	64.6	3%	0.032	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	131.6	170.6	-162.2	-70.8	0	0	0	109.6	S32 V76 G77 F96 I97 C112	S32-H110 PolarHBondContact OG-CE1 3.41Å; S32-H110 VanDerWaalsContact OG-CE1 3.32Å; V76-H110 HydrophobicContact CB-CB 4.23Å; V76-H110 HydrophobicContact CG1-CB 3.48Å; V76-H110 VanDerWaalsContact CG1-CB 3.48Å; V76-H110 VanDerWaalsContact CG1-CD2 3.41Å; V76-H110 WeakPolarHBondContact CG1-CD2 3.25Å; G77-H110 WeakPolarHBondContact CA-NE2 3.28Å; G77-H110 PolarHBondContact N-CD2 3.27Å; G77-H110 PolarHBondContact N-NE2 3.26Å; F96-H110 WeakPolarHBondContact CA-O 3.45Å; I97-H110 PolarHBondContact N-O 3.3Å; I97-H110 PolarHBondContact O-N 2.78Å; H110-C112 PolarHBondContact ND1-SG 3.5Å
111	H	46.3	Very low	40.8	Very low	43 Å²	43	70.2 Å²	70.2	20%	0.199	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	113	179.6	-51.4	-46	0	0	0	109.7	G34 F96 I109	G34-H111 PolarHBondContact N-O 2.91Å; F96-H111 AromaticContact CD1-CE1 3.31Å; F96-H111 WeakPolarHBondContact CD1-CE1 3.09Å; F96-H111 AromaticContact CD1-ND1 2.94Å; F96-H111 WeakPolarHBondContact CD1-ND1 3.48Å; F96-H111 AromaticContact CE1-CE1 3.51Å; F96-H111 AromaticContact CE1-ND1 3.23Å; F96-H111 WeakPolarHBondContact CE1-ND1 3.34Å; F96-H111 AromaticContact CG-ND1 3.94Å; I109-H111 WeakPolarHBondContact CG2-CE1 3.34Å
112	C	46.2	Very low	39.8	Very low	12 Å²	12	76.7 Å²	76.7	8%	0.081	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	133.5	175.1	-57.3	0	0	0	0	109.5	L30 I94 V95 H110	L30-C112 HydrophobicContact CD2-CB 3.74Å; I94-C112 WeakPolarHBondContact CA-O 3.37Å; V95-C112 PolarHBondContact N-O 2.83Å; V95-C112 PolarHBondContact O-N 2.84Å; H110-C112 PolarHBondContact ND1-SG 3.5Å
113	R	40.9	Very low	38.9	Very low	115 Å²	115	80.7 Å²	80.7	43%	0.434	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	123.1	167.2	-170.6	178.3	-178.6	166.3	0.7	108.1	E31 V33 M93 R115	E31-R113 PolarHBondContact O-N 2.84Å; V33-R113 HydrophobicContact CB-CB 3.99Å; V33-R113 HydrophobicContact CG2-CB 3.25Å; V33-R113 HydrophobicContact CG2-CG 4.24Å; M93-R113 WeakPolarHBondContact O-CA 3.46Å; M93-R113 WeakPolarHBondContact O-CG 3.3Å; R113-R115 PolarHBondContact O-N 3.09Å
114	L	41.1	Very low	38.7	Very low	31 Å²	31	77.3 Å²	77.3	16%	0.162	46%	0.458	C	S	.	.			trans	-77.1	116.3	166.2	-72.7	166.3	0	0	0	106.9	L10 L30 M93 V95 T116	L10-L114 HydrophobicContact CD1-CD1 4.44Å; L10-L114 HydrophobicContact CD2-CD1 4.14Å; L10-L114 HydrophobicContact CG-CD1 4.24Å; L30-L114 HydrophobicContact CD2-CD2 3.53Å; L30-L114 HydrophobicContact CD2-CG 4.11Å; L30-L114 HydrophobicContact CG-CD2 4.18Å; M93-L114 PolarHBondContact O-N 2.91Å; M93-L114 VanDerWaalsContact O-N 3.13Å; V95-L114 HydrophobicContact CG2-CD1 3.39Å; V95-L114 HydrophobicContact CG2-CG 3.83Å; L114-T116 HydrophobicContact CB-CG2 4.17Å; L114-T116 PolarHBondContact O-N 3.43Å
115	R	39.2	Very low	38.6	Very low	148 Å²	148	76.8 Å²	76.8	56%	0.558	44%	0.435	S	S	*	.			trans	-75.5	69.9	157.6	-73.1	-172.3	-179.3	-165.7	0.8	107.5	E31 R113 H117	E31-R115 IonicContact OE1-NH2 2.79Å; E31-R115 IonicContact OE2-CZ 3.28Å; E31-R115 VanDerWaalsContact OE2-CZ 3.28Å; E31-R115 IonicContact OE2-NE 3.49Å; E31-R115 PolarHBondContact OE2-NE 3.35Å; E31-R115 IonicContact OE2-NH2 3.69Å; E31-R115 PolarHBondContact OE2-NH2 2.92Å; R113-R115 PolarHBondContact O-N 3.09Å; R115-H117 PolarHBondContact O-N 2.82Å; R115-H117 VanDerWaalsContact O-N 3.09Å
116	T	36.3	Very low	38.4	Very low	73 Å²	73	78.3 Å²	78.3	45%	0.448	44%	0.44	S	S	.	.			trans	-65.4	112.3	160.3	48	0	0	0	0	105.6	L114 M118	L114-T116 HydrophobicContact CB-CG2 4.17Å; L114-T116 PolarHBondContact O-N 3.43Å; T116-M118 PolarHBondContact O-N 3.17Å
117	H	34.5	Very low	38.2	Very low	183 Å²	183	79.5 Å²	79.5	85%	0.847	44%	0.444	S	S	*	.			trans	-59.1	84.3	159.7	-99.7	-80.2	0	0	0	106.9	R115 G119	R115-H117 PolarHBondContact O-N 2.82Å; R115-H117 VanDerWaalsContact O-N 3.09Å; H117-G119 PolarHBondContact O-N 3.18Å
118	M	30.7	Very low	37.7	Very low	93 Å²	93	84.4 Å²	84.4	46%	0.458	47%	0.471	S	S	.	.			trans	-73.9	85.6	165.4	-63.6	-130.5	-89.3	0	0	104.8	T116 Y121	T116-M118 PolarHBondContact O-N 3.17Å; M118-Y121 HydrophobicContact CB-CE2 4.43Å; M118-Y121 HydrophobicContact CE-CE2 4.28Å; M118-Y121 HydrophobicContact SD-CE2 3.75Å; M118-Y121 PolarHBondContact SD-OH 2.78Å
119	G	27.4	Very low	36.8	Very low	46 Å²	46	88.9 Å²	88.9	47%	0.474	50%	0.497	S	S	.	.			trans	-51.9	154.1	160.7	0	0	0	0	0	109.2	H117 Y121	H117-G119 PolarHBondContact O-N 3.18Å; G119-Y121 PolarHBondContact O-N 2.68Å; G119-Y121 VanDerWaalsContact O-N 3.16Å
120	P	27.9	Very low	36	Very low	113 Å²	113	94.6 Å²	94.6	73%	0.734	53%	0.529	S	S	*	.			trans	-51.6	126.8	-179.6	21.4	-31.6	0	0	0	109.6	N122	P120-N122 VanDerWaalsContact C-N 3.32Å; P120-N122 PolarHBondContact O-N 3.3Å
121	Y	29.2	Very low	34.9	Very low	154 Å²	154	101.3 Å²	101.3	60%	0.604	57%	0.567	S	S	*	*			trans	-61.8	93.4	175.7	-77.5	-99.8	0	0	0	108.5	W6 M118 G119 G123	W6-Y121 HydrophobicContact CH2-CE1 4.29Å; W6-Y121 WeakPolarHBondContact CH2-OH 3.24Å; W6-Y121 VanDerWaalsContact CZ3-OH 3.24Å; W6-Y121 WeakPolarHBondContact CZ3-OH 3.18Å; M118-Y121 HydrophobicContact CB-CE2 4.43Å; M118-Y121 HydrophobicContact CE-CE2 4.28Å; M118-Y121 HydrophobicContact SD-CE2 3.75Å; M118-Y121 PolarHBondContact SD-OH 2.78Å; G119-Y121 PolarHBondContact O-N 2.68Å; G119-Y121 VanDerWaalsContact O-N 3.16Å; Y121-G123 PolarHBondContact O-N 3.18Å
122	N	25.6	Very low	33.9	Very low	158 Å²	158	106.2 Å²	106.2	85%	0.845	60%	0.598	S	S	*	*			trans	-89.4	90.7	166.4	-73.6	-17.2	0	0	0	107.1	P120	P120-N122 VanDerWaalsContact C-N 3.32Å; P120-N122 PolarHBondContact O-N 3.3Å
123	G	28.1	Very low	32.8	Very low	148 Å²	148	114.7 Å²	114.7	100%	1.526	65%	0.645	S	S	*	*			trans	-159.8	0	175.2	0	0	0	0	0	110.7	Y121	Y121-G123 PolarHBondContact O-N 3.18Å

Retrieved 123 of 123 residues in 72.1 ms (Link to these results)

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